8-[(1-methylimidazol-2-yl)methyl]-2-(4-phenylphenyl)-2,8-diazaspiro[4.5]decan-1-one

C25H28N4O — CID 71748680

IUPAC8-[(1-methylimidazol-2-yl)methyl]-2-(4-phenylphenyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCn1ccnc1CN1CCC2(CC1)CCN(c1ccc(-c3ccccc3)cc1)C2=O
InChIInChI=1S/C25H28N4O/c1-27-18-14-26-23(27)19-28-15-11-25(12-16-28)13-17-29(24(25)30)22-9-7-21(8-10-22)20-5-3-2-4-6-20/h2-10,14,18H,11-13,15-17,19H2,1H3
InChIKeyQFZKAEGCEQQJEP-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.11
Rot. Bonds4

About 8-[(1-methylimidazol-2-yl)methyl]-2-(4-phenylphenyl)-2,8-diazaspiro[4.5]decan-1-one

8-[(1-methylimidazol-2-yl)methyl]-2-(4-phenylphenyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 71748680) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is 8-[(1-methylimidazol-2-yl)methyl]-2-(4-phenylphenyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[(1-methylimidazol-2-yl)methyl]-2-(4-phenylphenyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID71748680
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name8-[(1-methylimidazol-2-yl)methyl]-2-(4-phenylphenyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCn1ccnc1CN1CCC2(CC1)CCN(c1ccc(-c3ccccc3)cc1)C2=O
InChIInChI=1S/C25H28N4O/c1-27-18-14-26-23(27)19-28-15-11-25(12-16-28)13-17-29(24(25)30)22-9-7-21(8-10-22)20-5-3-2-4-6-20/h2-10,14,18H,11-13,15-17,19H2,1H3
InChIKeyQFZKAEGCEQQJEP-UHFFFAOYSA-N
XLogP4.11
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(1-methylimidazol-2-yl)methyl]-2-(4-phenylphenyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[(1-methylimidazol-2-yl)methyl]-2-(4-phenylphenyl)-2,8-diazaspiro[4.5]decan-1-one (CID 71748680) is 8-[(1-methylimidazol-2-yl)methyl]-2-(4-phenylphenyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[(1-methylimidazol-2-yl)methyl]-2-(4-phenylphenyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[(1-methylimidazol-2-yl)methyl]-2-(4-phenylphenyl)-2,8-diazaspiro[4.5]decan-1-one is Cn1ccnc1CN1CCC2(CC1)CCN(c1ccc(-c3ccccc3)cc1)C2=O.
What is the InChIKey of 8-[(1-methylimidazol-2-yl)methyl]-2-(4-phenylphenyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is QFZKAEGCEQQJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-27-18-14-26-23(27)19-28-15-11-25(12-16-28)13-17-29(24(25)30)22-9-7-21(8-10-22)20-5-3-2-4-6-20/h2-10,14,18H,11-13,15-17,19H2,1H3.
What are the key properties of 8-[(1-methylimidazol-2-yl)methyl]-2-(4-phenylphenyl)-2,8-diazaspiro[4.5]decan-1-one?
8-[(1-methylimidazol-2-yl)methyl]-2-(4-phenylphenyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 400.53 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1-methylimidazol-2-yl)methyl]-2-(4-phenylphenyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 71748680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).